N-ethyl-2-fluoro-N-(2-methoxyethyl)-5-sulfamoylbenzamide

C12H17FN2O4S — CID 65387640

IUPACN-ethyl-2-fluoro-N-(2-methoxyethyl)-5-sulfamoylbenzamide
SMILESCCN(CCOC)C(=O)c1cc(S(N)(=O)=O)ccc1F
InChIInChI=1S/C12H17FN2O4S/c1-3-15(6-7-19-2)12(16)10-8-9(20(14,17)18)4-5-11(10)13/h4-5,8H,3,6-7H2,1-2H3,(H2,14,17,18)
InChIKeyAREQIYBRGLXQAU-UHFFFAOYSA-N
MW304.34 g/mol
LogP0.58
Rot. Bonds6

About N-ethyl-2-fluoro-N-(2-methoxyethyl)-5-sulfamoylbenzamide

N-ethyl-2-fluoro-N-(2-methoxyethyl)-5-sulfamoylbenzamide (PubChem CID 65387640) has the molecular formula C12H17FN2O4S and a molecular weight of 304.34 g/mol. Its IUPAC name is N-ethyl-2-fluoro-N-(2-methoxyethyl)-5-sulfamoylbenzamide.

Molecular Properties

Compound NameN-ethyl-2-fluoro-N-(2-methoxyethyl)-5-sulfamoylbenzamide
PubChem CID65387640
Molecular FormulaC12H17FN2O4S
Molecular Weight304.34 g/mol
Exact Mass304.09
IUPAC NameN-ethyl-2-fluoro-N-(2-methoxyethyl)-5-sulfamoylbenzamide
SMILESCCN(CCOC)C(=O)c1cc(S(N)(=O)=O)ccc1F
InChIInChI=1S/C12H17FN2O4S/c1-3-15(6-7-19-2)12(16)10-8-9(20(14,17)18)4-5-11(10)13/h4-5,8H,3,6-7H2,1-2H3,(H2,14,17,18)
InChIKeyAREQIYBRGLXQAU-UHFFFAOYSA-N
XLogP0.58
TPSA89.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.34
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-2-fluoro-N-(2-methoxyethyl)-5-methylbenzamide
CID 62512852
N-ethyl-3-fluoro-N-(2-methoxyethyl)-5-sulfamoylbenzamide
CID 65387256
2-chloro-N-ethyl-4-fluoro-N-(2-methoxyethyl)-5-sulfamoylbenzamide
CID 65387832
3-[ethyl(2-methoxyethyl)carbamoyl]-4,5-difluorobenzenesulfonyl chloride
CID 65372146
3-chloro-N-ethyl-N-(2-methoxyethyl)-5-sulfamoylbenzamide
CID 65387830
3-bromo-N-ethyl-N-(2-methoxyethyl)-5-sulfamoylbenzamide
CID 65386871
propyl 2-fluoro-5-sulfamoylbenzoate
CID 35544265
2-bromo-N,N-diethyl-5-sulfamoylbenzamide
CID 47101234
2-bromo-N-[(5-bromo-2-fluorophenyl)methyl]-N-ethyl-5-sulfamoylbenzamide
CID 55586408
5-chloro-2-fluoro-N-(2-methoxyethyl)-N-(3-methoxypropyl)benzamide
CID 61074145
1-N-ethyl-2-fluoro-1-N-(2-methoxyethyl)benzene-1,4-disulfonamide
CID 61384433
N-(2-ethylsulfonylethyl)-2-fluoro-5-sulfamoylbenzamide
CID 74236642

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-fluoro-N-(2-methoxyethyl)-5-sulfamoylbenzamide?
The IUPAC name of N-ethyl-2-fluoro-N-(2-methoxyethyl)-5-sulfamoylbenzamide (CID 65387640) is N-ethyl-2-fluoro-N-(2-methoxyethyl)-5-sulfamoylbenzamide.
What is the SMILES notation for N-ethyl-2-fluoro-N-(2-methoxyethyl)-5-sulfamoylbenzamide?
The canonical SMILES for N-ethyl-2-fluoro-N-(2-methoxyethyl)-5-sulfamoylbenzamide is CCN(CCOC)C(=O)c1cc(S(N)(=O)=O)ccc1F.
What is the InChIKey of N-ethyl-2-fluoro-N-(2-methoxyethyl)-5-sulfamoylbenzamide?
The InChIKey is AREQIYBRGLXQAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2O4S/c1-3-15(6-7-19-2)12(16)10-8-9(20(14,17)18)4-5-11(10)13/h4-5,8H,3,6-7H2,1-2H3,(H2,14,17,18).
What are the key properties of N-ethyl-2-fluoro-N-(2-methoxyethyl)-5-sulfamoylbenzamide?
N-ethyl-2-fluoro-N-(2-methoxyethyl)-5-sulfamoylbenzamide has a molecular weight of 304.34 g/mol, XLogP of 0.58, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-fluoro-N-(2-methoxyethyl)-5-sulfamoylbenzamide is sourced from PubChem (CID 65387640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).